Dear Nick :
Thank you for your help.
Ren-hui Zheng
发件人：Nick Papior
发送日期：2019-02-06 05:15:20
收件人：siesta-l
主题：Re: [SIESTA-L] openmp
In the Siesta 4.1 manual there is a clear description (Sec. 2.3.2) on how to
utilize hybrid MPI+OpenMP using OpenMPI.
For your architecture
-04 15:07:10
> To: siesta-l
> Subject: Re: [SIESTA-L] openmp
>
> Dear Ren-hui Zheng,
>
> Siesta can benefit from MPI, OpenMP or both.
> The benefit may be briefly summarized as follows:
> MPI has distribution across orbitals, hence a basic advice is that you get
> perfo
: [SIESTA-L] openmp
Dear Ren-hui Zheng,
Siesta can benefit from MPI, OpenMP or both.
The benefit may be briefly summarized as follows:
MPI has distribution across orbitals, hence a basic advice is that you get
performance scaling with # of cores == # of atoms (rule of thumb)
OpenMP also distributes
Dear Ren-hui Zheng,
Siesta can benefit from MPI, OpenMP or both.
The benefit may be briefly summarized as follows:
MPI has distribution across orbitals, hence a basic advice is that you get
performance scaling with # of cores == # of atoms (rule of thumb)
OpenMP also distributes across orbitals,
